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Chemical ID: 5152599
Chemical ID:
5152599
Name [?]:
None
SMILES [?]:
c1cc2c3=C4C(C=c3c1)NC(=O)C45CCCCC5C2
InChi [?]:
InChI=1/C17H17NO/c19-16-17-7-2-1-6-12(17)8-10-4-3-5-11-9-13(18-16)15(17)14(10)11/h3-5,9,12-13H,1-2,6-8H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:16,15,1,2,9,17,14,19,7,3,8,18,6,4,5,11,13,10,12/rA:19cCCCCCCCCCNCOCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s4d7;d1s8;s6;s10;d11;s5s11;s13;s14;s15;s16;s13s17;s3s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.32922 |
Area: | 392.069 |
Solvation: | -1.4725 |
Coulombic: | -23.6419 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 251.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.26 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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